3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid

C14H13NO6 — CID 2435336

IUPAC3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(NC(=O)c2ccco2)c1OC
InChIInChI=1S/C14H13NO6/c1-19-11-7-8(14(17)18)6-9(12(11)20-2)15-13(16)10-4-3-5-21-10/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyQBYQMLJNOQWYID-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.25
Rot. Bonds5

About 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid

3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid (PubChem CID 2435336) has the molecular formula C14H13NO6 and a molecular weight of 291.26 g/mol. Its IUPAC name is 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid
PubChem CID2435336
Molecular FormulaC14H13NO6
Molecular Weight291.26 g/mol
Exact Mass291.07
IUPAC Name3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(NC(=O)c2ccco2)c1OC
InChIInChI=1S/C14H13NO6/c1-19-11-7-8(14(17)18)6-9(12(11)20-2)15-13(16)10-4-3-5-21-10/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyQBYQMLJNOQWYID-UHFFFAOYSA-N
XLogP2.25
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid?
The IUPAC name of 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid (CID 2435336) is 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid?
The canonical SMILES for 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(NC(=O)c2ccco2)c1OC.
What is the InChIKey of 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid?
The InChIKey is QBYQMLJNOQWYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6/c1-19-11-7-8(14(17)18)6-9(12(11)20-2)15-13(16)10-4-3-5-21-10/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid?
3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid has a molecular weight of 291.26 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 2435336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).